1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C14H18N4 — CID 79851160

IUPAC1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)n1-c1ccccc1
InChIInChI=1S/C14H18N4/c1-11-16-17-13(10-14(15)8-5-9-14)18(11)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10,15H2,1H3
InChIKeyRTPWIKZOPXBOBG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.00
Rot. Bonds3

About 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 79851160) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID79851160
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)n1-c1ccccc1
InChIInChI=1S/C14H18N4/c1-11-16-17-13(10-14(15)8-5-9-14)18(11)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10,15H2,1H3
InChIKeyRTPWIKZOPXBOBG-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 79851160) is 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is Cc1nnc(CC2(N)CCC2)n1-c1ccccc1.
What is the InChIKey of 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is RTPWIKZOPXBOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-16-17-13(10-14(15)8-5-9-14)18(11)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10,15H2,1H3.
What are the key properties of 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79851160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).